#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/84/4508422.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4508422
loop_
_publ_author_name
'Yang, Yan'
'Du, Peng'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 A Series of Coordination Polymers Constructed by Flexible 4-Substituted
 Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses,
 Structures, and Photoluminescent Properties
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4781
_journal_paper_doi               10.1021/cg400934z
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C26 H20 N6 O6 Zn, 1.5H2O'
_chemical_formula_sum            'C26 H23 N6 O7.5 Zn'
_chemical_formula_weight         604.90
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 100.085(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6090(5)
_cell_length_b                   10.6201(4)
_cell_length_c                   21.7532(7)
_cell_measurement_reflns_used    3098
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1091
_cell_measurement_theta_min      3.0413
_cell_volume                     2640.49(18)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10176
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.990
_exptl_absorpt_correction_T_max  0.7690
_exptl_absorpt_correction_T_min  0.7424
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.385
_refine_diff_density_min         -0.297
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0434P)²+0.4851P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.1015
_reflns_number_gt                3555
_reflns_number_total             4801
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg400934z_si_002.cif
_cod_data_source_block           Compound-1
_cod_original_cell_volume        2640.49(17)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C26 H23 N6 O7.50 Zn'
_cod_database_code               4508422
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.89302(3) 0.04202(3) 0.245624(14) 0.03804(13) Uani 1 1 d .
C1 C 1.0425(4) 0.2403(4) 0.1185(2) 0.0855(14) Uani 1 1 d .
H1 H 1.1014 0.2569 0.0957 0.103 Uiso 1 1 calc R
C2 C 0.8920(3) 0.2603(3) 0.16044(13) 0.0419(7) Uani 1 1 d .
H2 H 0.8249 0.2922 0.1727 0.050 Uiso 1 1 calc R
C3 C 0.9257(3) 0.4368(3) 0.09066(14) 0.0473(8) Uani 1 1 d .
C4 C 0.8123(3) 0.4612(3) 0.06146(14) 0.0484(8) Uani 1 1 d .
C5 C 0.7875(4) 0.5768(4) 0.03293(17) 0.0673(11) Uani 1 1 d .
H5 H 0.7118 0.5950 0.0130 0.081 Uiso 1 1 calc R
C6 C 0.8748(5) 0.6647(4) 0.0341(2) 0.0823(14) Uani 1 1 d .
H6 H 0.8574 0.7429 0.0156 0.099 Uiso 1 1 calc R
C7 C 0.9873(5) 0.6382(4) 0.0621(2) 0.0810(13) Uani 1 1 d .
H7 H 1.0460 0.6976 0.0617 0.097 Uiso 1 1 calc R
C8 C 1.0134(4) 0.5244(4) 0.09067(17) 0.0660(11) Uani 1 1 d .
H8 H 1.0896 0.5063 0.1099 0.079 Uiso 1 1 calc R
C9 C 0.6310(3) 0.4017(4) 0.08811(16) 0.0604(10) Uani 1 1 d .
H9A H 0.5881 0.4699 0.0648 0.073 Uiso 1 1 calc R
H9B H 0.6578 0.4303 0.1305 0.073 Uiso 1 1 calc R
C10 C 0.5531(3) 0.2909(4) 0.08851(14) 0.0576(10) Uani 1 1 d .
H10A H 0.5979 0.2181 0.1059 0.069 Uiso 1 1 calc R
H10B H 0.4935 0.3081 0.1135 0.069 Uiso 1 1 calc R
C11 C 0.4247(3) 0.1705(3) 0.01196(14) 0.0465(8) Uani 1 1 d .
C12 C 0.3882(3) 0.1453(3) -0.05145(13) 0.0418(8) Uani 1 1 d .
C13 C 0.3083(3) 0.0522(3) -0.07048(15) 0.0539(9) Uani 1 1 d .
H13 H 0.2854 0.0355 -0.1128 0.065 Uiso 1 1 calc R
C14 C 0.2618(4) -0.0166(3) -0.02730(18) 0.0660(11) Uani 1 1 d .
H14 H 0.2072 -0.0796 -0.0402 0.079 Uiso 1 1 calc R
C15 C 0.2966(4) 0.0083(4) 0.03514(18) 0.0652(11) Uani 1 1 d .
H15 H 0.2647 -0.0380 0.0643 0.078 Uiso 1 1 calc R
C16 C 0.3775(3) 0.1001(3) 0.05533(15) 0.0577(10) Uani 1 1 d .
H16 H 0.4006 0.1152 0.0978 0.069 Uiso 1 1 calc R
C17 C 0.3686(3) 0.2740(3) -0.14811(12) 0.0390(7) Uani 1 1 d .
H17 H 0.2891 0.2605 -0.1620 0.047 Uiso 1 1 calc R
C18 C 0.5414(3) 0.2678(3) -0.09474(15) 0.0538(9) Uani 1 1 d .
H18 H 0.6047 0.2486 -0.0637 0.065 Uiso 1 1 calc R
C19 C 0.5400(3) 0.0771(3) 0.24084(12) 0.0355(7) Uani 1 1 d .
C20 C 0.4766(3) 0.1830(3) 0.25156(13) 0.0403(7) Uani 1 1 d .
C21 C 0.3572(3) 0.1714(4) 0.24909(18) 0.0639(10) Uani 1 1 d .
H21 H 0.3132 0.2417 0.2557 0.077 Uiso 1 1 calc R
C22 C 0.3026(3) 0.0561(4) 0.2369(2) 0.0735(12) Uani 1 1 d .
H22 H 0.2226 0.0491 0.2362 0.088 Uiso 1 1 calc R
C23 C 0.3652(4) -0.0471(4) 0.22587(19) 0.0657(11) Uani 1 1 d .
H23 H 0.3279 -0.1239 0.2165 0.079 Uiso 1 1 calc R
C24 C 0.4833(3) -0.0370(3) 0.22869(15) 0.0480(8) Uani 1 1 d .
H24 H 0.5263 -0.1082 0.2223 0.058 Uiso 1 1 calc R
C25 C 0.6677(3) 0.0858(3) 0.23814(13) 0.0397(7) Uani 1 1 d .
C26 C 0.5341(3) 0.3091(3) 0.26795(14) 0.0407(7) Uani 1 1 d .
N1 N 0.9405(2) 0.1530(2) 0.17871(11) 0.0429(6) Uani 1 1 d .
N2 N 1.0378(3) 0.1391(3) 0.15144(16) 0.0804(11) Uani 1 1 d .
N3 N 0.9524(2) 0.3182(2) 0.12136(11) 0.0466(7) Uani 1 1 d .
N4 N 0.4320(2) 0.2233(2) -0.09586(10) 0.0415(6) Uani 1 1 d .
N5 N 0.4357(2) 0.3449(2) -0.17624(10) 0.0400(6) Uani 1 1 d .
N6 N 0.5480(2) 0.3401(3) -0.14192(12) 0.0509(7) Uani 1 1 d .
O1 O 0.7297(2) 0.3682(2) 0.05990(9) 0.0520(6) Uani 1 1 d .
O2 O 0.5004(2) 0.2677(2) 0.02493(9) 0.0588(7) Uani 1 1 d .
O3 O 0.7309(2) -0.0101(2) 0.25231(12) 0.0619(7) Uani 1 1 d .
O4 O 0.7068(2) 0.1854(2) 0.22110(10) 0.0565(6) Uani 1 1 d .
O5 O 0.50137(19) 0.39899(19) 0.22982(9) 0.0461(5) Uani 1 1 d .
O6 O 0.6051(2) 0.3235(2) 0.31660(10) 0.0582(6) Uani 1 1 d .
O1W O 0.3001(3) 0.4194(3) 0.13145(14) 0.0976(10) Uani 1 1 d .
O2W O 1.0856(9) 0.8971(7) 0.1102(4) 0.160(4) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O5 Zn1 O3 108.53(9) 2_645 .
O5 Zn1 N1 114.21(10) 2_645 .
O3 Zn1 N1 126.47(10) . .
O5 Zn1 N5 100.19(9) 2_645 4_666
O3 Zn1 N5 101.24(10) . 4_666
N1 Zn1 N5 101.33(10) . 4_666
N2 C1 N3 112.1(3) . .
N2 C1 H1 124.0 . .
N3 C1 H1 124.0 . .
N1 C2 N3 110.4(3) . .
N1 C2 H2 124.8 . .
N3 C2 H2 124.8 . .
C8 C3 C4 121.1(3) . .
C8 C3 N3 119.6(3) . .
C4 C3 N3 119.3(3) . .
O1 C4 C5 122.5(3) . .
O1 C4 C3 118.8(3) . .
C5 C4 C3 118.7(4) . .
C6 C5 C4 120.0(4) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C7 C6 C5 120.7(4) . .
C7 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C8 C7 C6 120.1(4) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
C7 C8 C3 119.4(4) . .
C7 C8 H8 120.3 . .
C3 C8 H8 120.3 . .
O1 C9 C10 109.8(3) . .
O1 C9 H9A 109.7 . .
C10 C9 H9A 109.7 . .
O1 C9 H9B 109.7 . .
C10 C9 H9B 109.7 . .
H9A C9 H9B 108.2 . .
O2 C10 C9 106.7(3) . .
O2 C10 H10A 110.4 . .
C9 C10 H10A 110.4 . .
O2 C10 H10B 110.4 . .
C9 C10 H10B 110.4 . .
H10A C10 H10B 108.6 . .
O2 C11 C16 126.0(3) . .
O2 C11 C12 115.2(3) . .
C16 C11 C12 118.7(3) . .
C13 C12 C11 120.6(3) . .
C13 C12 N4 121.0(3) . .
C11 C12 N4 118.2(3) . .
C12 C13 C14 120.3(3) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C13 C14 C15 119.4(4) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
C16 C15 C14 121.4(3) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C15 C16 C11 119.6(3) . .
C15 C16 H16 120.2 . .
C11 C16 H16 120.2 . .
N5 C17 N4 109.9(3) . .
N5 C17 H17 125.1 . .
N4 C17 H17 125.1 . .
N6 C18 N4 112.3(3) . .
N6 C18 H18 123.9 . .
N4 C18 H18 123.9 . .
C24 C19 C20 119.7(3) . .
C24 C19 C25 119.2(3) . .
C20 C19 C25 121.0(3) . .
C21 C20 C19 118.6(3) . .
C21 C20 C26 119.1(3) . .
C19 C20 C26 122.2(3) . .
C22 C21 C20 120.6(3) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
C23 C22 C21 120.4(4) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 119.5(3) . .
C22 C23 H23 120.2 . .
C24 C23 H23 120.2 . .
C23 C24 C19 121.2(3) . .
C23 C24 H24 119.4 . .
C19 C24 H24 119.4 . .
O4 C25 O3 122.5(3) . .
O4 C25 C19 118.9(3) . .
O3 C25 C19 118.5(3) . .
O6 C26 O5 122.9(3) . .
O6 C26 C20 120.9(3) . .
O5 C26 C20 116.1(3) . .
C2 N1 N2 107.9(3) . .
C2 N1 Zn1 124.9(2) . .
N2 N1 Zn1 126.6(2) . .
C1 N2 N1 105.5(3) . .
C2 N3 C1 104.1(3) . .
C2 N3 C3 127.1(3) . .
C1 N3 C3 128.8(3) . .
C18 N4 C17 104.3(2) . .
C18 N4 C12 129.3(2) . .
C17 N4 C12 126.3(3) . .
C17 N5 N6 107.9(2) . .
C17 N5 Zn1 129.8(2) . 4_565
N6 N5 Zn1 122.1(2) . 4_565
C18 N6 N5 105.6(3) . .
C4 O1 C9 114.7(3) . .
C11 O2 C10 119.0(3) . .
C25 O3 Zn1 105.9(2) . .
C26 O5 Zn1 107.45(19) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.966(2) 2_645
Zn1 O3 1.992(2) .
Zn1 N1 2.023(2) .
Zn1 N5 2.070(2) 4_666
C1 N2 1.297(5) .
C1 N3 1.344(5) .
C1 H1 0.9300 .
C2 N1 1.302(4) .
C2 N3 1.343(4) .
C2 H2 0.9300 .
C3 C8 1.379(5) .
C3 C4 1.382(5) .
C3 N3 1.434(4) .
C4 O1 1.373(4) .
C4 C5 1.382(5) .
C5 C6 1.375(6) .
C5 H5 0.9300 .
C6 C7 1.370(6) .
C6 H6 0.9300 .
C7 C8 1.368(5) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 O1 1.436(4) .
C9 C10 1.485(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 O2 1.432(3) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 O2 1.353(4) .
C11 C16 1.390(5) .
C11 C12 1.396(4) .
C12 C13 1.369(4) .
C12 N4 1.432(4) .
C13 C14 1.373(5) .
C13 H13 0.9300 .
C14 C15 1.373(5) .
C14 H14 0.9300 .
C15 C16 1.371(5) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 N5 1.310(4) .
C17 N4 1.353(3) .
C17 H17 0.9300 .
C18 N6 1.295(4) .
C18 N4 1.351(4) .
C18 H18 0.9300 .
C19 C24 1.382(4) .
C19 C20 1.386(4) .
C19 C25 1.497(4) .
C20 C21 1.384(5) .
C20 C26 1.511(4) .
C21 C22 1.383(5) .
C21 H21 0.9300 .
C22 C23 1.359(5) .
C22 H22 0.9300 .
C23 C24 1.366(5) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 O4 1.233(4) .
C25 O3 1.261(4) .
C26 O6 1.232(4) .
C26 O5 1.278(3) .
N1 N2 1.372(4) .
N5 N6 1.385(3) .
N5 Zn1 2.070(2) 4_565
O5 Zn1 1.966(2) 2_655
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C8 C3 C4 O1 176.5(3) . .
N3 C3 C4 O1 -3.4(4) . .
C8 C3 C4 C5 -1.1(5) . .
N3 C3 C4 C5 179.0(3) . .
O1 C4 C5 C6 -177.6(3) . .
C3 C4 C5 C6 -0.1(5) . .
C4 C5 C6 C7 1.4(6) . .
C5 C6 C7 C8 -1.5(7) . .
C6 C7 C8 C3 0.3(6) . .
C4 C3 C8 C7 1.0(6) . .
N3 C3 C8 C7 -179.1(3) . .
O1 C9 C10 O2 -69.6(4) . .
O2 C11 C12 C13 -177.6(3) . .
C16 C11 C12 C13 -0.6(5) . .
O2 C11 C12 N4 -0.7(4) . .
C16 C11 C12 N4 176.3(3) . .
C11 C12 C13 C14 0.8(5) . .
N4 C12 C13 C14 -176.0(3) . .
C12 C13 C14 C15 -0.3(6) . .
C13 C14 C15 C16 -0.4(6) . .
C14 C15 C16 C11 0.6(6) . .
O2 C11 C16 C15 176.5(3) . .
C12 C11 C16 C15 -0.1(5) . .
C24 C19 C20 C21 -0.7(4) . .
C25 C19 C20 C21 175.4(3) . .
C24 C19 C20 C26 177.2(3) . .
C25 C19 C20 C26 -6.8(4) . .
C19 C20 C21 C22 0.7(5) . .
C26 C20 C21 C22 -177.2(3) . .
C20 C21 C22 C23 -1.4(6) . .
C21 C22 C23 C24 1.9(6) . .
C22 C23 C24 C19 -1.8(5) . .
C20 C19 C24 C23 1.2(5) . .
C25 C19 C24 C23 -174.9(3) . .
C24 C19 C25 O4 147.8(3) . .
C20 C19 C25 O4 -28.3(4) . .
C24 C19 C25 O3 -30.9(4) . .
C20 C19 C25 O3 153.0(3) . .
C21 C20 C26 O6 114.4(4) . .
C19 C20 C26 O6 -63.5(4) . .
C21 C20 C26 O5 -63.1(4) . .
C19 C20 C26 O5 119.0(3) . .
N3 C2 N1 N2 0.7(4) . .
N3 C2 N1 Zn1 172.17(19) . .
O5 Zn1 N1 C2 -171.7(2) 2_645 .
O3 Zn1 N1 C2 48.4(3) . .
N5 Zn1 N1 C2 -64.9(3) 4_666 .
O5 Zn1 N1 N2 -1.8(3) 2_645 .
O3 Zn1 N1 N2 -141.8(3) . .
N5 Zn1 N1 N2 105.0(3) 4_666 .
N3 C1 N2 N1 -1.6(5) . .
C2 N1 N2 C1 0.5(4) . .
Zn1 N1 N2 C1 -170.7(3) . .
N1 C2 N3 C1 -1.6(4) . .
N1 C2 N3 C3 178.9(3) . .
N2 C1 N3 C2 2.0(5) . .
N2 C1 N3 C3 -178.6(3) . .
C8 C3 N3 C2 133.7(4) . .
C4 C3 N3 C2 -46.4(4) . .
C8 C3 N3 C1 -45.7(5) . .
C4 C3 N3 C1 134.3(4) . .
N6 C18 N4 C17 -0.1(4) . .
N6 C18 N4 C12 -177.4(3) . .
N5 C17 N4 C18 -0.4(3) . .
N5 C17 N4 C12 177.0(3) . .
C13 C12 N4 C18 -141.1(4) . .
C11 C12 N4 C18 42.0(5) . .
C13 C12 N4 C17 42.1(5) . .
C11 C12 N4 C17 -134.8(3) . .
N4 C17 N5 N6 0.7(3) . .
N4 C17 N5 Zn1 -175.48(19) . 4_565
N4 C18 N6 N5 0.5(4) . .
C17 N5 N6 C18 -0.8(3) . .
Zn1 N5 N6 C18 175.8(2) 4_565 .
C5 C4 O1 C9 -61.0(4) . .
C3 C4 O1 C9 121.5(3) . .
C10 C9 O1 C4 -175.2(3) . .
C16 C11 O2 C10 10.6(5) . .
C12 C11 O2 C10 -172.7(3) . .
C9 C10 O2 C11 179.9(3) . .
O4 C25 O3 Zn1 3.3(3) . .
C19 C25 O3 Zn1 -178.11(19) . .
O5 Zn1 O3 C25 177.87(18) 2_645 .
N1 Zn1 O3 C25 -40.4(2) . .
N5 Zn1 O3 C25 73.0(2) 4_666 .
O6 C26 O5 Zn1 11.8(4) . 2_655
C20 C26 O5 Zn1 -170.7(2) . 2_655
